[4-(5-cyclopentyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine)

C156H160Ir4N8S4Si4-8 — CID 158365952

About [4-(5-cyclopentyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine)

[4-(5-cyclopentyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine) (PubChem CID 158365952) has the molecular formula C156H160Ir4N8S4Si4-8 and a molecular weight of 3156.53 g/mol. Its IUPAC name is [4-(5-cyclopentyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine).

Molecular Properties

• Compound Name: [4-(5-cyclopentyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine)
• PubChem CID: 158365952
• Molecular Formula: C156H160Ir4N8S4Si4-8
• Molecular Weight: 3156.53 g/mol
• Exact Mass: 3156.93
• IUPAC Name: [4-(5-cyclopentyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine)
• SMILES: CC(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1c[c-]c(-c2ccc(C3CCCC3)cn2)c2sc3ccccc3c12.C[Si](C)(C)c1ccc2c(c1)sc1c(-c3ccc(C4CCCC4)cn3)[c-]ccc12.C[Si](C)(C)c1ccc2sc3c(-c4ccc(C5CCCC5)cn4)[c-]ccc3c2c1.C[Si](C)(C)c1cccc2sc3c(-c4ccc(C5CCCC5)cn4)[c-]ccc3c12.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/4C25H26NSSi.4C14H14N.4Ir/c1-28(2,3)23-13-7-12-22-24(23)20-11-6-10-19(25(20)27-22)21-15-14-18(16-26-21)17-8-4-5-9-17;1-28(2,3)23-15-13-19(25-24(23)20-10-6-7-11-22(20)27-25)21-14-12-18(16-26-21)17-8-4-5-9-17;1-28(2,3)19-12-13-20-21-9-6-10-22(25(21)27-24(20)15-19)23-14-11-18(16-26-23)17-7-4-5-8-17;1-28(2,3)19-12-14-24-22(15-19)20-9-6-10-21(25(20)27-24)23-13-11-18(16-26-23)17-7-4-5-8-17;4*1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;;;;/h6-7,11-17H,4-5,8-9H2,1-3H3;6-7,10-12,14-17H,4-5,8-9H2,1-3H3;2*6,9,11-17H,4-5,7-8H2,1-3H3;4*3-6,8-11H,1-2H3;;;;/q8*-1
• InChIKey: ZQUUULBOYMLTRN-UHFFFAOYSA-N
• XLogP: 43.16
• TPSA: 103.12 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3156.53
LogP ≤ 5	43.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(5-cyclopentyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine)?

The IUPAC name of [4-(5-cyclopentyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine) (CID 158365952) is [4-(5-cyclopentyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine).

What is the SMILES notation for [4-(5-cyclopentyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine)?

The canonical SMILES for [4-(5-cyclopentyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine) is CC(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1c[c-]c(-c2ccc(C3CCCC3)cn2)c2sc3ccccc3c12.C[Si](C)(C)c1ccc2c(c1)sc1c(-c3ccc(C4CCCC4)cn3)[c-]ccc12.C[Si](C)(C)c1ccc2sc3c(-c4ccc(C5CCCC5)cn4)[c-]ccc3c2c1.C[Si](C)(C)c1cccc2sc3c(-c4ccc(C5CCCC5)cn4)[c-]ccc3c12.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of [4-(5-cyclopentyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine)?

The InChIKey is ZQUUULBOYMLTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/4C25H26NSSi.4C14H14N.4Ir/c1-28(2,3)23-13-7-12-22-24(23)20-11-6-10-19(25(20)27-22)21-15-14-18(16-26-21)17-8-4-5-9-17;1-28(2,3)23-15-13-19(25-24(23)20-10-6-7-11-22(20)27-25)21-14-12-18(16-26-21)17-8-4-5-9-17;1-28(2,3)19-12-13-20-21-9-6-10-22(25(21)27-24(20)15-19)23-14-11-18(16-26-23)17-7-4-5-8-17;1-28(2,3)19-12-14-24-22(15-19)20-9-6-10-21(25(20)27-24)23-13-11-18(16-26-23)17-7-4-5-8-17;4*1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;;;;/h6-7,11-17H,4-5,8-9H2,1-3H3;6-7,10-12,14-17H,4-5,8-9H2,1-3H3;2*6,9,11-17H,4-5,7-8H2,1-3H3;4*3-6,8-11H,1-2H3;;;;/q8*-1;;;;.

What are the key properties of [4-(5-cyclopentyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine)?

[4-(5-cyclopentyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine) has a molecular weight of 3156.53 g/mol, XLogP of 43.16, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(5-cyclopentyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-1-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]-trimethylsilane;[6-(5-cyclopentyl-2-pyridinyl)-7H-dibenzothiophen-7-id-3-yl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenyl-5-propan-2-ylpyridine) is sourced from PubChem (CID 158365952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).